N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide

C18H18F2N2O3S — CID 7564600

IUPACN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C
InChIInChI=1S/C18H18F2N2O3S/c1-11-3-5-15(7-12(11)2)22-10-14(9-18(22)23)21-26(24,25)17-8-13(19)4-6-16(17)20/h3-8,14,21H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFSXXFLNMDQXKIY-CQSZACIVSA-N
MW380.42 g/mol
LogP2.67
Rot. Bonds4

About N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 7564600) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID7564600
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C
InChIInChI=1S/C18H18F2N2O3S/c1-11-3-5-15(7-12(11)2)22-10-14(9-18(22)23)21-26(24,25)17-8-13(19)4-6-16(17)20/h3-8,14,21H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFSXXFLNMDQXKIY-CQSZACIVSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide (CID 7564600) is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide is Cc1ccc(N2C[C@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C.
What is the InChIKey of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FSXXFLNMDQXKIY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-11-3-5-15(7-12(11)2)22-10-14(9-18(22)23)21-26(24,25)17-8-13(19)4-6-16(17)20/h3-8,14,21H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide?
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 7564600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).